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CAS 2559-35-5 2,6-Diphenyl-4-(p-tolyl)pyryliuM tetrafluoroborate molecular structure lightbox
CAS RN: 2559-35-5

2,6-Diphenyl-4-(p-tolyl)pyryliuM tetrafluoroborate

  • Product code: SSC-121713
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2559-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2559-35-5 / 4-(4-methylphenyl)-2,6-diphenylpyrylium tetrafluoroborate

Standard CAS: 2559-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2559-35-5
Multi CAS
No
Molecular Formula
C24H19BF4O
Molecular Weight
410.200000
Exact Mass
410.146508
SMILES
[B-](F)(F)(F)F.CC1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H19O.BF4/c1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)25-24(17-22)21-10-6-3-7-11-21;2-1(3,4)5/h2-17H,1H3;/q+1;-1
InChIKey
VDNHHTBRGIJSTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
114.35
TPSA
11.3

LogP / Solubility

WLOGP
8.17
MLOGP
7.21
XLogP3
8.17
Consensus LogP
7.85
Log S (ESOL)
-7.92
Class (ESOL)
Insoluble
Log S (Ali)
-8.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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